N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C22H20F2N2O3 — CID 55889361

IUPACN-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N2O3/c1-15-6-9-20(21(11-15)28-2)29-14-22(27)26(13-17-5-3-4-10-25-17)19-8-7-16(23)12-18(19)24/h3-12H,13-14H2,1-2H3
InChIKeyNBQBUENZHVIRNZ-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.29
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55889361) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55889361
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC NameN-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N2O3/c1-15-6-9-20(21(11-15)28-2)29-14-22(27)26(13-17-5-3-4-10-25-17)19-8-7-16(23)12-18(19)24/h3-12H,13-14H2,1-2H3
InChIKeyNBQBUENZHVIRNZ-UHFFFAOYSA-N
XLogP4.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108756010
N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78765534
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
CID 55888737
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986731
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 55889361) is N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is COc1cc(C)ccc1OCC(=O)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NBQBUENZHVIRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-15-6-9-20(21(11-15)28-2)29-14-22(27)26(13-17-5-3-4-10-25-17)19-8-7-16(23)12-18(19)24/h3-12H,13-14H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 398.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55889361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).